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160721-25-5

Basic Information
CAS No.: 160721-25-5
Name: Benzenebutanoic acid, 3-hydroxy-, ethyl ester
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 160721-25-5 (Benzenebutanoic acid, 3-hydroxy-, ethyl ester)
Formula: C12H16O3
Molecular Weight: 208.257
Synonyms: Ethyl 4-(3-hydroxyphenyl)butanoate;
EINECS: N/A
Density: 1.094 g/cm3
Melting Point: N/A
Boiling Point: 335.5 °C at 760 mmHg
Flash Point: 140.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 46.53000
LogP: 2.27800
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Specification

The CAS register number of Ethyl 4-(3-hydroxyphenyl)butanoate is 160721-25-5. It also can be called as Benzenebutanoic acid, 3-hydroxy-, ethyl ester and the systematic name about this chemical is ethyl 4-(3-hydroxyphenyl)butanoate. The molecular formula about this chemical is C12H16O3 and molecular weight is 208.25.

Physical properties about Ethyl 4-(3-hydroxyphenyl)butanoate are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 52.32; (5)ACD/BCF (pH 7.4): 52.19; (6)ACD/KOC (pH 5.5): 591.33; (7)ACD/KOC (pH 7.4): 589.9; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 46.53Å2; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 57.99 cm3; (14)Molar Volume: 190.1 cm3; (15)Polarizability: 22.98x10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Enthalpy of Vaporization: 60.15 kJ/mol; (18)Boiling Point: 335.5 °C at 760 mmHg; (19)Vapour Pressure: 6.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(CCCC(=O)OCC)ccc1
(2)InChI: InChI=1/C12H16O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9,13H,2,4,6,8H2,1H3
(3)InChIKey: LAUUBUHMYMXNAO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H16O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9,13H,2,4,6,8H2,1H3
(5)Std. InChIKey: LAUUBUHMYMXNAO-UHFFFAOYSA-N